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benzoic acid, 2-fluoro-, 3-(octahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl ester

View entire compound with spectra: 2 NMR

benzoic acid, 2-fluoro-, 3-(octahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl ester
SpectraBase Compound ID CjekLqBE2D8
InChI InChI=1S/C21H18FNO4/c22-18-11-4-3-10-17(18)21(26)27-14-7-5-6-13(12-14)23-19(24)15-8-1-2-9-16(15)20(23)25/h3-7,10-12,15-16H,1-2,8-9H2
InChIKey APPFBFFOOUICJQ-UHFFFAOYSA-N
Mol Weight 367.38 g/mol
Molecular Formula C21H18FNO4
Exact Mass 367.121986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4d3WJCCbBrT
Name Benzoic acid, 2-fluoro-, 3-(octahydro-1,3-dioxo-2H-isoindol-2-yl)phenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 367.121986223 u
Formula C21H18FNO4
InChI InChI=1S/C21H18FNO4/c22-18-11-4-3-10-17(18)21(26)27-14-7-5-6-13(12-14)23-19(24)15-8-1-2-9-16(15)20(23)25/h3-7,10-12,15-16H,1-2,8-9H2
InChIKey APPFBFFOOUICJQ-UHFFFAOYSA-N
Molecular Weight 367.376 g/mol
SMILES C1=CC=C(C(OC=2C=C(N3C(C4CCCCC4C3=O)=O)C=CC2)=O)C(F)=C1